(2R)-2-(4-bromanylpyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide

Systemtic Name: (2R)-2-(4-bromanylpyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Openeye Name: (2R)-2-(4-bromopyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide CAS Name: (2R)-2-(4-bromo-1-pyrazolyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide IUPAC Name: (2R)-2-(4-bromopyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Traditional Name: (2R)-2-(4-bromopyrazol-1-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propionamide Formula: C14H14BrN3O3 MolecularWeight: 352.18326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)N3C=C(C=N3)Br

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCCO2)N3C=C(C=N3)Br

InChI

InChI=1S/C14H14BrN3O3/c1-9(18-8-10(15)7-16-18)14(19)17-11-2-3-12-13(6-11)21-5-4-20-12/h2-3,6-9H,4-5H2,1H3,(H,17,19)/t9-/m1/s1